What is the tert-Butyl acetoacetate?

tert-Butyl acetoacetate is Clear yellow liquid, while it's Molecular Formula is C8H14O3. Clear yellow liquid tert-Butyl acetoacetate is used as intermediate for the syntheses of different organic chemicals. Raw material in pharmaceutical Industry, In agrochemical industry. Reagent for Acyloin synthesis and ?,β - unsaturated ketones synthesis.

What is the CAS number for tert-Butyl acetoacetate?

The CAS number of tert-Butyl acetoacetate is 1694-31-1.

What is tert-Butyl acetoacetate (1694-31-1) used for?

Tert-Butyl acetoacetate is a reagent used to acetoacetylate hydroxyl-bearing coatings resins, such as polyesters, acrylics, cellulosics, and epoxies. It can be used as an acetoacetylating reagent in pharmaceutical, agrichemical, and pigment applications. It is used as an intermediate for the syntheses of different organic chemicals. For instance, it may be used to synthesize various acetoacetic acid derivatives, acetoacetates, acetoacetamides, 1-(diethylamino)-2-acetoacetoxypropane, (S)-tert-butyl 3-hydroxybutyrate, benzothiazole β-keto ester derivatives, and 3,4-disubstituted pyrroles.InChI:InChI=1/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

What is the tert-Butyl acetoacetate?

tert-Butyl acetoacetate is Clear yellow liquid, while it's Molecular Formula is C8H14O3. Clear yellow liquid tert-Butyl acetoacetate is used as intermediate for the syntheses of different organic chemicals. Raw material in pharmaceutical Industry, In agrochemical industry. Reagent for Acyloin synthesis and ?,β - unsaturated ketones synthesis.

What is the CAS number for tert-Butyl acetoacetate?

The CAS number of tert-Butyl acetoacetate is 1694-31-1.

What is tert-Butyl acetoacetate (1694-31-1) used for?

Tert-Butyl acetoacetate is a reagent used to acetoacetylate hydroxyl-bearing coatings resins, such as polyesters, acrylics, cellulosics, and epoxies. It can be used as an acetoacetylating reagent in pharmaceutical, agrichemical, and pigment applications. It is used as an intermediate for the syntheses of different organic chemicals. For instance, it may be used to synthesize various acetoacetic acid derivatives, acetoacetates, acetoacetamides, 1-(diethylamino)-2-acetoacetoxypropane, (S)-tert-butyl 3-hydroxybutyrate, benzothiazole β-keto ester derivatives, and 3,4-disubstituted pyrroles.InChI:InChI=1/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

Detailed introduction

Factory Sells Best Quality tert-Butyl acetoacetate 1694-31-1 with steady supply

Molecular Formula:C8H14O3
Molecular Weight:158.197
Appearance/Colour:Clear yellow liquid
Vapor Pressure:0.749mmHg at 25°C
Melting Point:-38 °C
Refractive Index:n20/D 1.419
Boiling Point:184 °C at 760 mmHg
PKA:10.71±0.46(Predicted)
Flash Point:66.5 °C
PSA：43.37000
Density:0.981 g/cm³
LogP:1.30720

tert-Butyl acetoacetate(Cas 1694-31-1) Usage

Flammability and Explosibility	Flammable
Biochem/physiol Actions	β-Actin modulates cell growth, migration and the G-actin pool. Mutations in ACTB leads to pleiotropic developmental disorder.
Purification Methods	Distil it under reduced pressure through a short column. [Lawesson et al. Org Synth Coll Vol V 155 1973, Lawesson et al. Org Synth 42 28 1962, Beilstein 3 IV 1536.] HARMFUL VAPOUR.
General Description	tert-Butyl acetoacetate (t-BAA) is a cheap and easy to store commercial reagent. Reaction demonstrated that the more hindered tert-butyl acetoacetate (t-BAA, la) is ca.15-20-fold more reactive than the more commonly used methyl or ethyl analogs. It is widely employed as an acetoacetylating reagent.

InChI:InChI=1/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

1694-31-1 Relevant articles

Chemoselectivity in the Reactions of Acetylketene and Acetimidoylketene: Confirmation of Theoretical Predictions

Birney, David M.,Xu, Xiaolian,Ham, Sihyun,Huang, Xiaomeng

, p. 7114 - 7120 (1997)

Acetylketene (1) was generated by flash ...

-

Hauser,Walker

, p. 295 (1947)

PORPHYRINS. 18. SYNTHESIS OF OCTAPROPYLPORPHYRIN BY THE METHOD OF MONOPYRROLE CYCLOTETRAMERIZATION OF 5-CARBOXY-2-METHOXYMETHYL-3,4-DIPROPYLPYRROLE. INVESTIGATION OF THE THERMOLYSIS OF meso-N-METHYLFORMALDIMINEOCTAPROPYLPORPHYRIN

Shul'ga, A. M.,Ponomarev, G. V.

, p. 748 - 753 (1984)

The synthesis of octapropylporphyrin on ...

-

Renfrow,Walker

, p. 3957 (1948)

Csp3-H monofluoroalkenylation via stereoselective C-F bond cleavage

Hu, Binjing,Hu, Ying,Li, Jie,Liu, Xingchen,Ren, Zhouyang

supporting information, p. 2734 - 2737 (2022/03/02)

A practical nickel- and photoredox-catal...

Revisiting ageless antiques; synthesis, biological evaluation, docking simulation and mechanistic insights of 1,4-Dihydropyridines as anticancer agents

Sidhom, Peter A.,El-Bastawissy, Eman,Salama, Abeer A.,El-Moselhy, Tarek F.

supporting information, (2021/06/21)

The historic DHP nucleus was serendipito...

Visible-light-driven radical 1,3-addition of selenosulfonates to vinyldiazo compounds

Li, Weiyu,Zhou, Lei

supporting information, p. 6652 - 6658 (2021/09/10)

Herein, we report a visible-light-driven...

N, N’-dimethyl formamide (DMF) mediated Vilsmeier–Haack adducts with 1,3,5-triazine compounds as efficient catalysts for the transesterification of β-ketoesters

Chityala, Yadaiah,Duguta, Govardhan,Kamatala, Chinna Rajanna,Muddam, Bhooshan,Mukka, Satish Kumar

supporting information, p. 1641 - 1655 (2020/05/25)

N, N’-dimethyl formamide (DMF) mediated ...

1694-31-1 Process route

: 674-82-8,2130-41-8
4-methyleneoxetan-2-one

: 75-65-0
tert-butyl alcohol

: 1694-31-1
tert-butyl acetoacetate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tributyl-amine; at 60 - 150 ℃; for 0.5h; Concentration; Temperature;	94.4%
for 4.5h; Heating;	75%
With sodium acetate;
With sodium t-butanolate;
With triethylamine;

With triethylamine;

: 60-29-7,927820-24-4
diethyl ether

: 540-88-5
acetic acid tert-butyl ester

: 1068-55-9
isopropylmagnesium chloride

: 1694-31-1
tert-butyl acetoacetate

Conditions

Conditions	Yield

1694-31-1 Upstream products

674-82-8
4-methyleneoxetan-2-one
75-65-0
tert-butyl alcohol
60-29-7
diethyl ether
540-88-5
acetic acid tert-butyl ester

1694-31-1 Downstream products

50634-31-6
tert-butyl 3,4,5-dimethylpyrrole-2-carboxylate
86770-31-2
2-tert-butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
94461-44-6
2,4-Dimethyl-3,5-bis-(tert-butoxycarbonyl)-pyrrol
60024-89-7
4-(2-methoxycarbonylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester